Generalized Gradient Approximation Made Simple
|
journal
|
October 1996 |
Anomalous atomic volume of α-Pu
|
journal
|
June 1997 |
Calculated thermodynamic properties of plutonium metal
|
journal
|
November 2003 |
Density-functional study of Zr-based actinide alloys: 2. U–Pu–Zr system
|
journal
|
August 2009 |
Projector augmented-wave method
|
journal
|
December 1994 |
High-temperature phonon stabilization of -uranium from relativistic first-principles theory
|
journal
|
February 2012 |
Equilibrium properties of delta-Pu: LDA+ U calculations (LDAequiv local density approximation)
|
journal
|
February 2000 |
Phase equilibria in the U-Si system from first-principles calculations
|
journal
|
October 2016 |
Electronic structure and magnetic state of transuranium metals under pressure
|
journal
|
November 2010 |
Orbital polarization in narrow-band systems: Application to volume collapses in light lanthanides
|
journal
|
April 1990 |
New muffin tin orbital band calculations of equilibrium properties and electronic structure of actinide metals
|
journal
|
October 1994 |
From ultrasoft pseudopotentials to the projector augmented-wave method
|
journal
|
January 1999 |
Polymorph transitions in uranium at low temperatures: first-principles investigation
|
journal
|
January 2018 |
Electronic properties of f -electron metals using the generalized gradient approximation
|
journal
|
September 1994 |
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
|
journal
|
January 1998 |
The ab initio ground state properties and magnetic structure of plutonium
|
journal
|
April 2003 |
Thermal expansion of neptunium
|
journal
|
October 1987 |
Thermodynamic evaluation of the Np–Zr system using CALPHAD and ab initio methods
|
journal
|
September 2014 |
Pseudopotential for plane-wave density functional theory studies of metallic uranium
|
journal
|
January 2020 |
Ab initio energetics for modeling phase stability of the Np-U system
|
journal
|
October 2016 |
Correlation and relativistic effects in U metal and U-Zr alloy: Validation of ab initio approaches
|
journal
|
December 2013 |
Reproducibility in density functional theory calculations of solids
|
journal
|
March 2016 |
Phonon and magnetic structure in δ-plutonium from density-functional theory
|
journal
|
October 2015 |
Theory of the crystal structures of cerium and the light actinides
|
journal
|
November 1998 |
Self-Consistent Equations Including Exchange and Correlation Effects
|
journal
|
November 1965 |
Computational modeling of actinide materials and complexes
|
journal
|
November 2010 |
Effective Coulomb interaction in actinides from linear response approach
|
journal
|
January 2020 |
First-principles study of electronic and magnetic structure of alpha-Pu, delta-Pu, americium, and curium
|
journal
|
May 2004 |
Ab initio full charge-density study of the atomic volume of α-phase Fr, Ra, Ac, Th, Pa, U, Np, and Pu
|
journal
|
February 1997 |
Dilatation et pouvoir thermoelectrique du plutonium α a basse temperature
|
journal
|
December 1963 |
First-principles thermodynamic calculations for δ-Pu and ε-Pu
|
journal
|
May 2000 |
Crystal-structure stabilities and electronic structure for the light actinides Th, Pa, and U
|
journal
|
June 1992 |
Elastic properties of the light actinides at high pressure
|
journal
|
May 2011 |
Structural properties of plutonium from first-principles theory
|
journal
|
January 1997 |
Density-functional theory for plutonium
|
journal
|
January 2019 |
Implementation of the projector augmented-wave LDA+U method: Application to the electronic structure of NiO
|
journal
|
December 2000 |
First-principles study of structural, elastic, electronic, vibrational and thermodynamic properties of uranium aluminides
|
journal
|
February 2019 |
Structural, electronic, and elastic properties of equiatomic UZr alloys from first-principles
|
journal
|
December 2017 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
|
journal
|
October 1996 |
Lattice dynamics and thermodynamics of light actinides
|
journal
|
October 2007 |
Evaluation of first-principles techniques for obtaining materials parameters of -uranium and the (001) -uranium surface
|
journal
|
March 2008 |
Inhomogeneous Electron Gas
|
journal
|
November 1964 |
Ambient pressure phase diagram of plutonium: A unified theory for α-Pu and δ-Pu
|
journal
|
August 2001 |
Phonon density of states for α-plutonium from density-functional theory
|
journal
|
December 2019 |
Electronic structure of fcc Th: Spin-orbit calculation with local orbital extension
|
journal
|
September 2001 |
First-principles study of surface properties of crystalline and amorphous uranium aluminides
|
journal
|
February 2020 |
Relativistic effects on the thermal expansion of the actinide elements
|
journal
|
September 1990 |
Pressure-induced modification of the electron structure of metallic thorium
|
journal
|
January 2014 |
Lattice dynamics of uranium
|
journal
|
January 2008 |
Calculated equilibrium properties, electronic structures and structural stabilities of Th, Pa, U, Np and Pu
|
journal
|
June 2000 |
Electron correlation and relativity of the 5f electrons in the U–Zr alloy system
|
journal
|
January 2014 |
Spin-orbit coupling in the actinide elements: A critical evaluation of theoretical equilibrium volumes
|
journal
|
December 2000 |